Chemical Properties of 1,2-Cyclohexanedicarboxylic acid, 5-methoxy-3-methylpentyl tetradecyl ester

InChI

InChI=1S/C29H54O5/c1-4-5-6-7-8-9-10-11-12-13-14-17-22-33-28(30)26-18-15-16-19-27(26)29(31)34-24-21-25(2)20-23-32-3/h25-27H,4-24H2,1-3H3

InChI Key

IATSOPYJXPEVGI-UHFFFAOYSA-N

Formula

C29H54O5

SMILES

CCCCCCCCCCCCCCOC(=O)C1CCCCC1C(=O)OCCC(C)CCOC

Molecular Weight¹

482.75

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	70.18	kJ/mol	Joback Calculated Property
log10WS	-6.95		Relay (1.0) Calculated Property
logPoct/wat	7.643		Crippen Calculated Property
McVol	429.360	ml/mol	McGowan Calculated Property
Inp	[3287.00; 3287.00]
Inp	3287.00		NIST
Inp	3287.00		NIST
Tboil	692.62	K	Relay (1.0) Calculated Property
Tfus	296.81	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[632.59; 1542.46]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			-8.50300e+00
Coefficient B			2.68756e+00
Coefficient C			-1.28240e-03
Coefficient D			1.45800e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	632.59	J/mol×K	273.00	Calculated Property
Cp,gas	788.25	J/mol×K	353.78	Calculated Property
Cp,gas	929.19	J/mol×K	434.56	Calculated Property
Cp,gas	1055.87	J/mol×K	515.33	Calculated Property
Cp,gas	1168.77	J/mol×K	596.11	Calculated Property
Cp,gas	1268.33	J/mol×K	676.89	Calculated Property
Cp,gas	1355.01	J/mol×K	757.67	Calculated Property
Cp,gas	1429.29	J/mol×K	838.44	Calculated Property
Cp,gas	1491.62	J/mol×K	919.22	Calculated Property
Cp,gas	1542.46	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0003918; 0.0000169]	Pa×s	[511.62; 877.09]	Joback Predicted correlation
Equation			Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K
Coefficient A			-1.53835e+01
Coefficient B			3.85701e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Comment			Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc.
Temperature range, min.			511.62
Temperature range, max.			877.09
η	0.0003918	Pa×s	511.62	Calculated Property
η	0.0002251	Pa×s	552.23	Calculated Property
η	0.0001395	Pa×s	592.84	Calculated Property
η	0.0000919	Pa×s	633.44	Calculated Property
η	0.0000637	Pa×s	674.05	Calculated Property
η	0.0000460	Pa×s	714.66	Calculated Property
η	0.0000344	Pa×s	755.27	Calculated Property
η	0.0000265	Pa×s	795.88	Calculated Property
η	0.0000210	Pa×s	836.48	Calculated Property
η	0.0000169	Pa×s	877.09	Calculated Property

Similar Compounds

Find more compounds similar to 1,2-Cyclohexanedicarboxylic acid, 5-methoxy-3-methylpentyl tetradecyl ester.

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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